F7K3N2O6Sb2
This compound is a complex inorganic salt containing antimony, potassium, nitrogen, oxygen, and fluorine. It is primarily studied in the context of specialized chemical synthesis and materials science research.
FKNOSb
Overview
Key Properties
Cross-validated computational properties for F7K3N2O6Sb2, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
2.96 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.063 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Metastable
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
4 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for F7K3N2O6Sb2, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 2.96 | 0.0634 | -5.677 | 3.18 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| — | — | — | — | — | 2.52 |
Uses
Applications
Where F7K3N2O6Sb2 is used.
Chemical researchMaterials science experimentation
Reference
Frequently Asked Questions
Common questions about F7K3N2O6Sb2, answered from cross-validated data.
What is F7K3N2O6Sb2?
This compound is a complex inorganic salt containing antimony, potassium, nitrogen, oxygen, and fluorine. It is primarily studied in the context of specialized chemical synthesis and materials science research.
More questions
What is F7K3N2O6Sb2 used for?
F7K3N2O6Sb2 is used in chemical research and materials science experimentation.
What is the band gap of F7K3N2O6Sb2?
F7K3N2O6Sb2 has a DFT-computed band gap of 2.96 eV across 4 reported structures.
Is F7K3N2O6Sb2 a metal, semiconductor, or insulator?
With a band gap up to 2.96 eV it is a semiconductor.
Is F7K3N2O6Sb2 thermodynamically stable?
F7K3N2O6Sb2 has a lowest energy above hull of 0.063 eV/atom (metastable).
What is the crystal structure of F7K3N2O6Sb2?
The lowest-energy reported polymorph of F7K3N2O6Sb2 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of F7K3N2O6Sb2?
The computed density of the ground-state structure of F7K3N2O6Sb2 is 3.18 g/cm³.
How many polymorphs of F7K3N2O6Sb2 are known?
4 structures of F7K3N2O6Sb2 are reported across 4 databases, spanning 1 distinct space group.
What elements does F7K3N2O6Sb2 contain?
F7K3N2O6Sb2 contains F, K, N, O, and Sb (5 elements).
Where does the data for F7K3N2O6Sb2 come from?
F7K3N2O6Sb2 data is cross-referenced from materials_project, nomad, aflow, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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